SCHEMBL3700941

SCHEMBL3700941

CC(C)c1c(NC(=O)CCC2CCCC2)nn2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 11/20 0.66
KCNQ2 O43526 11/20 0.66
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALPL P05186 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3703825 0.96 KCNQ3 (0.59) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3707951 0.84 KCNQ3 (0.67) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3706826 0.84 KCNQ3 (0.69) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3697377 0.83 KCNQ3 (0.68) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3706645 0.82 KCNQ3 (0.46) KCNQ3KCNQ2SMN1; SMN2TSHRHPGD
SCHEMBL3705764 0.82 KCNQ3 (0.64) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3704326 0.81 KCNQ3 (0.66) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3702907 0.80 KCNQ3 (0.61) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3704730 0.79 KCNQ3 (1.00) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3709283 0.78 KCNQ3 (0.62) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US claimed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 KCNQ3 4/4885KCNQ2 2/4885NPC1 493/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.